Chemical Properties of Fumaric acid, 2-ethylhexyl 2-fluorophenyl ester

Fumaric acid, 2-ethylhexyl 2-fluorophenyl ester

InChI
InChI=1S/C18H23FO4/c1-3-5-8-14(4-2)13-22-17(20)11-12-18(21)23-16-10-7-6-9-15(16)19/h6-7,9-12,14H,3-5,8,13H2,1-2H3/b12-11+
InChI Key
DMBSLJMMWFRZAK-VAWYXSNFSA-N
Formula
C18H23FO4
SMILES
CCCCC(CC)COC(=O)C=CC(=O)Oc1ccccc1F
Molecular Weight1
322.37
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Physical Properties

Property Value Unit Source
ΔfusH° 44.52 kJ/mol Joback Calculated Property
log10WS -5.40 Relay (1.0) Calculated Property
logPoct/wat 4.047 Crippen Calculated Property
McVol 253.070 ml/mol McGowan Calculated Property
Pc 1473.62 kPa Joback Calculated Property
Inp [2176.00; 2176.00]   Show Hide
Inp 2176.00 NIST
Inp 2176.00 NIST
Tboil 603.01 K Relay (1.0) Calculated Property
Tfus 270.51 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [359.18; 819.65] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A7.96500e+00
Coefficient B1.50354e+00
Coefficient C-8.33760e-04
Coefficient D1.41900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 359.18 J/mol×K 273.00 Calculated Property
Cp,gas 441.81 J/mol×K 353.78 Calculated Property
Cp,gas 515.54 J/mol×K 434.56 Calculated Property
Cp,gas 580.79 J/mol×K 515.33 Calculated Property
Cp,gas 638.02 J/mol×K 596.11 Calculated Property
Cp,gas 687.69 J/mol×K 676.89 Calculated Property
Cp,gas 730.24 J/mol×K 757.67 Calculated Property
Cp,gas 766.11 J/mol×K 838.44 Calculated Property
Cp,gas 795.77 J/mol×K 919.22 Calculated Property
Cp,gas 819.65 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, 2-methylpentyl 2-fluorophenyl ester. Fumaric acid, 2-ethylbutyl 2-fluorophenyl ester. Fumaric acid, 2,4,4-trimethylpentyl 2-fluorophenyl ester. Fumaric acid, 4-methoxyphenyl 2-ethylhexyl ester. Fumaric acid, 4-cyanophenyl 2-ethylhexyl ester. Fumaric acid, 2-ethylhexyl 2-chloro-6-fluorophenyl ester. Fumaric acid, naphth-2-yl 2-ethylhexyl ester. Fumaric acid, 4-bromophenyl 2-ethylhexyl ester. Fumaric acid, 3-chlorophenyl 2-ethylhexyl ester. Fumaric acid, 2-chlorophenyl 2-ethylhexyl ester. Fumaric acid, 2-methoxyphenyl 2-ethylhexyl ester. Fumaric acid, 4-cyanophenyl cyclohexylmethyl ester. Fumaric acid, naphth-1-yl 2-ethylhexyl ester. Fumaric acid, 4-bromophenyl cyclohexylmethyl ester. Fumaric acid, 4-nitrophenyl 2-ethylhexyl ester.

Find more compounds similar to Fumaric acid, 2-ethylhexyl 2-fluorophenyl ester.

Sources

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